Information card for entry 4311619

Structure parameters

• Formula: C3 H18 N9 O8 Ta
• Calculated formula: C3 H18 N9 O8 Ta
• SMILES: [Ta]1234(OO1)(OO2)(OO3)OO4.C(=[NH2+])(N)N.C(=[NH2+])(N)N.C(=[NH2+])(N)N
• Title of publication: Spectroscopic and Structural Characterizations of Novel Water-Soluble Tetraperoxo and Diperoxo[polyaminocarboxylato bis(N-oxido)]tantalate(V) Complexes
• Authors of publication: Daisy Bayot; Bernard Tinant; Michel Devillers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5999 - 6005
• a: 8.572 ± 0.003 Å
• b: 10.327 ± 0.005 Å
• c: 8.874 ± 0.003 Å
• α: 90°
• β: 103.08 ± 0.02°
• γ: 90°
• Cell volume: 765.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No